[4-heptoxy-2-oxidanyl-5-(pyrrolidin-1-ylmethyl)phenyl]-phenyl-methanone

Systemtic Name: [4-heptoxy-2-oxidanyl-5-(pyrrolidin-1-ylmethyl)phenyl]-phenyl-methanone Openeye Name: [4-heptoxy-2-hydroxy-5-(pyrrolidin-1-ylmethyl)phenyl]-phenyl-methanone CAS Name: [4-heptoxy-2-hydroxy-5-(1-pyrrolidinylmethyl)phenyl]-phenylmethanone IUPAC Name: [4-heptoxy-2-hydroxy-5-(pyrrolidin-1-ylmethyl)phenyl]-phenylmethanone Traditional Name: [4-heptoxy-2-hydroxy-5-(pyrrolidinomethyl)phenyl]-phenyl-methanone Formula: C25H33NO3 MolecularWeight: 395.53442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)CN3CCCC3

Isomeric SMILES

CCCCCCCOC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)CN3CCCC3

InChI

InChI=1S/C25H33NO3/c1-2-3-4-5-11-16-29-24-18-23(27)22(25(28)20-12-7-6-8-13-20)17-21(24)19-26-14-9-10-15-26/h6-8,12-13,17-18,27H,2-5,9-11,14-16,19H2,1H3